1-(1H-pyrazol-5-ylsulfonyl)piperazine

C7H12N4O2S — CID 86775472

IUPAC1-(1H-pyrazol-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCNCC1
InChIInChI=1S/C7H12N4O2S/c12-14(13,7-1-2-9-10-7)11-5-3-8-4-6-11/h1-2,8H,3-6H2,(H,9,10)
InChIKeyTVHHIFDXIAVPIH-UHFFFAOYSA-N
MW216.27 g/mol
LogP-1.00
Rot. Bonds2

About 1-(1H-pyrazol-5-ylsulfonyl)piperazine

1-(1H-pyrazol-5-ylsulfonyl)piperazine (PubChem CID 86775472) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)piperazine
PubChem CID86775472
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCNCC1
InChIInChI=1S/C7H12N4O2S/c12-14(13,7-1-2-9-10-7)11-5-3-8-4-6-11/h1-2,8H,3-6H2,(H,9,10)
InChIKeyTVHHIFDXIAVPIH-UHFFFAOYSA-N
XLogP-1.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691536
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692869
N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 102692998
N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 102693131
N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102693244
N-(4,4,4-trifluorobutyl)-1H-pyrazole-5-sulfonamide
CID 102693246

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperazine?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperazine (CID 86775472) is 1-(1H-pyrazol-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)piperazine is O=S(=O)(c1ccn[nH]1)N1CCNCC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)piperazine?
The InChIKey is TVHHIFDXIAVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c12-14(13,7-1-2-9-10-7)11-5-3-8-4-6-11/h1-2,8H,3-6H2,(H,9,10).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)piperazine?
1-(1H-pyrazol-5-ylsulfonyl)piperazine has a molecular weight of 216.27 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)piperazine is sourced from PubChem (CID 86775472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).